SCHEMBL2591083

SCHEMBL2591083

CC(C)c1nc(NC(=O)c2ccccn2)sc1Br

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 13/20 0.59
NPC1 O15118 5/20 0.53
RAB9A P51151 5/20 0.53
PKM P14618 2/20 0.53
MAPT P10636 3/20 0.52
OPRK1 P41145 3/20 0.52
HTT P42858 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 2/20 0.50
METAP2 P50579 1/20 0.50
METAP1 P53582 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TLR7 Q9NYK1 1/20 0.50
AGTR1 P30556 2/20 0.49
POLB P06746 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 1/20 0.48
CA1 P00915 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2593984 0.83 NPC1 (0.60) GRM4NPC1RAB9APKMMAPT
SCHEMBL2593847 0.77 GRM4 (0.58) GRM4NPC1RAB9APKMMAPT
SCHEMBL2593919 0.76 RAB9A (0.60) GRM4NPC1RAB9APKMMAPT
SCHEMBL2590990 0.76 GRM4 (0.65) GRM4NPC1RAB9APKMMAPT
SCHEMBL2594386 0.75 GRM4 (0.66) GRM4NPC1RAB9APKMMAPT
SCHEMBL12182440 0.75 GRM4 (1.00) GRM4
SCHEMBL26479399 0.74 DYRK1A (0.44) NPC1RAB9AMAPTLMNAPOLB
SCHEMBL2594330 0.74 GRM4 (0.66) GRM4NPC1RAB9AMAPTOPRK1
SCHEMBL15045093 0.74 GRM4 (0.82) GRM4
SCHEMBL12182122 0.74 GRM4 (1.00) GRM4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9192603-B2 Heterocyclic sulfone mGluR4 allosteric potentiators, compositions, and methods of treating neurological dysfunction VANDERBILT UNIVERSITY (US) 2015-11-24 US disclosed
US-20130158078-A1 Heterocyclic Sulfone MGLUR4 Allosteric Potentiators, Compositions, and Methods of Treating Neurological Dysfunction VANDERBILT UNIVERSITY (US) 2013-06-20 US disclosed
EP-2568809-A1 HETEROCYCLIC SULFONE MGLUR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION Vanderbilt University (US) 2013-03-20 EP disclosed
WO-2011143466-A1 HETEROCYCLIC SULFONE MGLUR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION VANDERBILT UNIVERSITY (US) 2011-11-17 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130158078-A1 Heterocyclic Sulfone MGLUR4 Allosteric Potentiators, Compositions, and Methods of Treating Neurological Dysfunction GRM4, GRIK4, GRIA4 GRM4 1/4885NPC1 3626/4885RAB9A 2120/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.